6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

C22H23ClN4O3 — CID 95870845

IUPAC6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O
InChIInChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1
InChIKeyDQPFYHUTYMGRKC-HNNXBMFYSA-N
MW426.90 g/mol
LogP3.11
Rot. Bonds6

About 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (PubChem CID 95870845) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
PubChem CID95870845
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O
InChIInChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1
InChIKeyDQPFYHUTYMGRKC-HNNXBMFYSA-N
XLogP3.11
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (CID 95870845) is 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is DQPFYHUTYMGRKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1.
What are the key properties of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 426.90 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 95870845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).